[2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3,5-bis(azanyl)benzoate

Systemtic Name: [2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3,5-bis(azanyl)benzoate Openeye Name: [2-(2-fluoro-5-nitro-anilino)-2-oxo-ethyl] 3,5-diaminobenzoate CAS Name: 3,5-diaminobenzoic acid [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 3,5-diaminobenzoate Traditional Name: 3,5-diaminobenzoic acid [2-(2-fluoro-5-nitro-anilino)-2-keto-ethyl] ester Formula: C15H13FN4O5 MolecularWeight: 348.285923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])NC(=O)COC(=O)C2=CC(=CC(=C2)N)N)F

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])NC(=O)COC(=O)C2=CC(=CC(=C2)N)N)F

InChI

InChI=1S/C15H13FN4O5/c16-12-2-1-11(20(23)24)6-13(12)19-14(21)7-25-15(22)8-3-9(17)5-10(18)4-8/h1-6H,7,17-18H2,(H,19,21)